Literature-based occurrences data of marine species in Venezuela.

Background: Venezuela has suffered a severe academic and research management crisis and funding opportunities for marine research and data management have been practically absent. This has worsened over the past five years and, as a result, libraries and other institutional spaces have been repeatedly vandalised, with hundreds of records, specimens and historical data stolen, destroyed or burned. To avoid the loss of irreplaceable data on Venezuelan biodiversity, an initiative was promoted, aimed at digitising information to create a rich dataset of biodiversity records, with emphasis on marine protected areas for the country, as well as to fill gaps in the distribution and status of marine biodiversity in Venezuela. Nighteen (19) institutions in the country focusing on marine science have consistently produced a wealth of information about Venezuela's marine biodiversity in the form of specimen collections, unpublished sampled data and research theses through the work of hundreds of researchers and students. An inventory of available data sources at these national institutions was conducted under the National Biodiversity Data Mobilization Grant and the Biodiversity Information for Development Program, together with the Global Biodiversity Information Facility (GBIF) support. All recovered and processed datasets were published in the Ocean Biodiversity Information System (OBIS) and the Global Biodiversity Information Facility (GBIF) repositories. New information: This occurrences data collection represents a major contribution to the marine biodiversity inventory in Venezuela. It is based on numerous published papers, reports, books and checklists provided by experts, covering a broad taxonomic collection from which we obtained species occurrences (present and absent), organised into 59 datasets containing 40,881 records. This represents a 28.49% contribution to the records of the Venezuelan marine biodiversity reported to the OBIS (143,513 records in the OBIS until November 2022). The extracted data showed 3,041 marine species, with representatives of each of the six kingdoms: Animalia, Chromista, Bacteria, Plantae, Fungi and Protozoa. The datasets provide information on occurrence since 1822, extending the temporal coverage of the species occurrence inventory for Venezuela, which was established in 1879 before this project. The number of records for Venezuela increased by 41.3% compared with the data available before the project. Most of the occurrences (63.47%) were registered in Marine Protected Areas. Data collection included records of non-native species, descriptions of new species and species listed under different IUCN categories.

PALB2 germline mutations in a multi-gene panel testing cohort of 1905 breast-ovarian cancer patients in Argentina.

PURPOSE: PALB2 variants have been scarcely described in Argentinian and Latin-American reports. In this study, we describe molecular and clinical characteristics of PALB2 mutations found in multi-gene panels (MP) from breast-ovarian cancer (BOC) families in different institutions from Argentina. METHODS: We retrospectively identified PALB2 pathogenic (PV) and likely pathogenic (LPV) variants from a cohort of 1905 MP results, provided by one local lab (Heritas) and SITHER (Hereditary Tumor Information System) public database. All patients met hereditary BOC clinical criteria for testing, according to current guidelines. RESULTS: The frequency of PALB2 mutations is 2.78% (53/1905). Forty-eight (90.5%) are PV and five (9.5%) are LPV. Most of the 18 different mutations (89%) are nonsense and frameshift types and 2 variants are novel. One high-rate recurrent PV (Y551*) is present in 43% (23/53) of the unrelated index cases. From the 53 affected carriers, 94% have BC diagnosis with 14% of bilateral cases. BC phenotype is mainly invasive ductal (78%) with 62% of hormone-receptor positive and 22% of triple negative tumors. Self-reported ethnic background of the cohort is West European (66%) and native Latin-American (20%) which is representative of Buenos Aires and other big urban areas of the country. CONCLUSION: This is the first report describing molecular and clinical characteristics of PALB2 carriers in Argentina. Frequency of PALB2 PV in Argentinian HBOC families is higher than in other reported populations. Y551* is a recurrent mutation that seems to be responsible for almost 50% of PALB2 cases.

Caracterización del cáncer de mama en el hombre. Experiencia del Hospital Británico de Buenos Aires / Characterization of breast cancer in men. Experience of the British Hospital of Buenos Aires

Introducción: El cáncer de mama en el hombre es una patología poco frecuente, que representa el 1% de todos los tumores malignos masculinos y menos del 1% de todos los carcinomas mamarios, cuyas dos características fundamentales son la aparición tardía y la presentación en estadios avanzados. Objetivo: Presentar los 38 casos tratados en el Servicio de Mastología del Hospital Británico de Buenos Aires y comparar los hallazgos con publicaciones anteriores. Material y método: Estudio retrospectivo de pacientes tratados por cáncer de mama en el Servicio desde enero del 1973 a mayo del 2018. Resultados: Edad media 63,9+12.8 años. Tamaño tumoral: 1,9 +0.9 cm. Se realizó Mastectomía radical modificada en 61% de los pacientes. Tipo histológico más frecuente: Ductal Infiltrante en 89,5% de los casos. Hallazgos que concuerdan con publicaciones de otros centros. Discusión: La presentación ocurre en edades avanzadas. La demora en la consulta y la falta de educación sanitaria condicionan las posibilidades de curación. Conclusiones: El cáncer de mama masculino se presenta a avanzada edad, con una importante demora en la consulta y en estadios avanzados. En la actualidad su manejo se extrapola de conductas llevadas a cabo en mujeres.

Introduction: Breast cancer in male patients in an uncommon disease, which represents 1% of all male malignancies and less than 1% of all breast carcinomas, whose two fundamental characteristics are evident: the late appearance and the presentation in advanced stages. Objective: To present the 38 cases treated in the Mastology Service of the British Hospital of Buenos Aires and compare the findings with previous publications. Material and method: Retrospective study of patients treated for breast cancer in the Servic between january 1973 to may 2018. Results: Average age was 63,9 ± 12,8 years. Tumor size: 1.9 ± 0.9 cm. A Modified radical mastectomy was performed in 61% of patients. Most frequent histological type was Infiltrating Ductal Carcinoma in 89,5% of cases. Findings that match publications from other centers. Discussion: Presentation occurs at advanced ages. The delay in consultation and the lack of health education determine the possibilities of healing. Conclusions. Male breast cancer occurs at an advanced age, with a significant delay in the consultation. At present, its management is extrapolated from guidelines carried out in women.

Survey of professionals on breast cancer, fertility preservation and pregnancy in Argentina.

INTRODUCTION: Medical knowledge regarding preservation of fertility and pregnancy in patients with breast cancer (BC) is of interest. We, therefore, decided to conduct a survey on this issue among professionals involved in the treatment of BC in Argentina. MATERIALS AND METHODS: A survey was conducted and sent by email to 3,412 contacts in the Argentine Mastology Society (Sociedad Argentina de Mastología, or SAM) database, with responses from 396 physicians. The survey design was based on the Lambertini 2017 survey. To the author's knowledge, it is the first Argentine survey to address this issue. RESULTS: The frequency with which the impact of cancer treatment on the fertility of young patients was addressed by the respondent and referred to a fertility specialist was 'always' and 'almost always' in 86.8% and 78.5% of cases, respectively. CONCLUSIONS: The level of knowledge is comparable to the data presented by other surveys. Membership in a Mastology Unit was associated with more current treatment. Continued work on the training of professionals is necessary to facilitate communication, information and guidance of patients of childbearing age who are going to have cancer treatment in order to advise them on fertility preservation, as well as the possibility of pregnancy after diagnosis of BC, and to be able to provide better care to those with BC associated with pregnancy.

Impact of immunohistochemical profile changes following neoadjuvant therapy in the treatment of breast cancer.

INTRODUCTION: Currently, the indication for neoadjuvant chemotherapy is increasing in the treatment of breast cancer. Variability in the expression of biomarkers following neoadjuvant treatment has been observed, which could be accompanied by changes in the adjuvant treatment. OBJECTIVES: The primary objective was to evaluate the variability of biomarkers prior to and following neoadjuvant therapy. Secondary objectives were to determine which tumour subtype (as determined by immunohistochemical markers) most frequently achieved pathological complete response (pCR); whether the biomarker variation resulted in a change in immunophenotype and subsequently modification to the adjuvant treatment. MATERIALS AND METHODS: A retrospective observational analysis was carried out on patients with a diagnosis of breast cancer who had neoadjuvant therapy prior to surgery in the Breast Care Service of the Buenos Aires British Hospital between January 2009 and June 2020. RESULTS: One hundred and seventy-two patients were included. The pCR rate was 28.5%. The tumour immunophenotype that achieved pCR most frequently was the hormone receptor negative /HER2+ group with a value of 85.2%. The analysis was carried out on the 123 patients with residual disease. The observed variability for oestrogen receptors (ER) was 8.9%, for progesterone receptors (PR), 29.9% and for HER2, 13.8%. These changes were statistically significant. There were changes to the tumour immunophenotype in 26 cases (21.1%) with modifications to the adjuvant treatment in nine of these (34.6%; 7.3% of all tumours with residual disease). CONCLUSIONS: In this study, we observed statistically significant variability in the expression of ER, PR and HER2 prior to and following neoadjuvant treatment, which identified modifications in the tumour immunophenotype in 21.1%, and changes to the adjuvant treatment in 7.3% of all tumours with residual disease, justifying the re-assay of biomarkers in the surgical specimen.

Cambios en el perfil inmunohistoquímico pre y post neoadyuvancia en cáncer de mama. Experiencia del Hospital Británico de Buenos Aires / Changes in biomarkers in pre and post neoadjuvant breast carcinoma

Introducción: actualmente la quimioterapia neoadyuvante ha ampliado sus indicaciones en el tratamiento del cáncer de mama. Se observó variabilidad en la expresión de biomarcadores postneoadyuvancia que pueden acompañarse de cambios en el tratamiento adyuvane. Objetivos: el objetivo principal fue evaluar la variabilidad de biomarcadores pre y post neoadyuvancia. Los objetivos secundarios fueron determinar qué subtipo inmunohistoquímico tumoral alcanzó más frecuentemente la respuesta patológica completa (PCR), si la variación en los biomarcadores derivó en un cambio de inmunofenotipo y posteriormente en una modificación del tratamiento adyuvante. Material y método: se realizó un estudio retrospectivo observacional de las pacientes con diagnóstico de cáncer de mama que realizaron neoadyuvancia en el servicio de mastología del Hospital Británico de Buenos Aires entre enero 2009 y junio 2019. Resultados: se incluyeron 127 pacientes. La variabilidad observada para receptores de estrógeno (RE) fue de 7,6%, resultando no estadísticamente significativo. Para receptores de progesterona (RP) fue de 28,3% y para HER2 fue de 13,1%, estos cambios fueron estadísticamente significativos. El inmunofenotipo tumoral que alcanzó más frecuentemente la PCR fue el grup RH-/HER2+. Hubo cambios en el inmunofenotipo tumoral en 17 casos y modificaciones al tratamiento adyuvante en 5 de estos. Conclusiones: en este estudio observamos una variabilidad estadísticamente significativa en la expresión de RP y HER2 posteriormente al tratamiento neoadyuvante. En cambio la variabilidad de RE no es estadísticamente significativa. Estos cambios determinan modificaciones en el inmunofenotipo tumoral y en el tratamiento adyuvante en el 29,4% de estos casos (5,4% del total de la serie), justificando la reevaluación de biomarcadores en la pieza quirúrgica. La tasa de PCR fue del 27,6%. Se observó con mayor frecuencia en el grupo RH-/HER2+ alcanzando un valor de 83,3%.

Introduction: nowadays neoadjuvant chemotherapy has extended its indications in breast cáncer treatment. A variantion in tumoral biomark expression has been observed after neoadjuvant treatment, this can be accompanied by a modification in adjuvant treatment. Objetives: to evaluate the variability in biomarkers before and after neoajuvant chemotherapy. To observe which inmunehistochemical subtype reache most frequently pathologic complete response, to determine if changes in biomarkers derived in a change in adjuvant treatment. Material and method: this is an observational retrospective study on patients with breast cáncer diagnosis who underwent neoadjuvant chemotherapy in Buenos Aires British Hospital between 2009 and june 2019. Results: the variability observed for estrogen receptor was 7,6%, not statistically significant; for progesterone receptor was 28,3%, for HER2 13,1%, these modifications were statistically significant. Pathologic complete response was achieved most frequently by RH-/HER2+ carcinomas. We observed changes in subtype in 17 cases ant modifications to adjuvant treatment in 5 cases. Conclusions: in this study we observed modifications in progesterone receptors and HER2 expression before and after neoadjuvant treatment, these were statistically significan. The modifications in estrogen receptors expression were not statistically significant. They led to changes in tumoral subtype and in the adjuvant treatment in 29,4% of the cases. This justifies retesting tumoral biomarkers after the neadjuvant setting. The rate of pathologic complete response was of 27,6%, mainly given by RH-/HER2 + tumors.

Conocimientos y prácticas actuales sobre cáncer de mama, preservación de la fertilidad y embarazo. Encuesta a los miembros de la Sociedad Argentina de Mastología / Knowledge and current practices on breast cancer, fertility preservation and pregnancy. Survey to the members of the Argentine Society of Mastology

Introducción: debido al retraso de la maternidad, es probable que las mujeres jóvenes con diagnóstico de cáncer de mama (CM) no hayan completado su proyecto de maternidad al momento del diagnóstico y estén interesadas en su fertilidad futura y podrían enfrentarse también a un cáncer de mama asociado al embarazo. El objetivo del trabajo fue analizar la práctica actual, de los miembros de la Sociedad Argentina de Mastología (SAM), sobre preservación de la fertilidad y embarazo. Material y método: se realizó una encuesta por correo electrónico. Respondieron 213 miembros. Resultados: la frecuencia con la que abordan el impacto del tratamiento oncológico en la fertilidad de las pacientes jóvenes y las derivan, fue "siempre" y "casi siempre" en 84,4% y 74,5% respectivamente. El 73,6% afirmó que el embarazo luego del CM no empeora el pronóstico. El 70,1% consideró seguro el uso de radiocoloides para identificar el ganglio centinela durante el embarazo. Encontramos una diferencia significativa en las respuestas de los profesionales pertenecientes a una UM. Conclusiones: el nivel de conocimiento es similar al de otras encuestas. La pertenencia a una unidad de mastología se asoció a un mejor nivel de actualización. Es necesario seguir trabajando en la capacitación de los profesionales.

Introduction: due to delayed motherhood, Young women diagnosed with breast cancer (BC) are likely to have not competed their maternity Project at the time of diagnosis, are interested in future fertility and may also face pregnancy-associated breast cancer. The aim of this study was to analyze the current practice of the Argentine Society of Mastology (SAM) members, on fertility preservation and pregnancy. Material and method: an email survery was conducted 231 members responded. Results: the frequency with which respondentes discuss the impact of cancer treatment of fertility among Young patients and referral was "always" and "almost always", 84.4% and 74.5% respectively. 73.6% considered pregnancy after BC does not worsen the prognosis. 70.1% used radiocoloids to identify sentinel node during pregnancy. We found a significant difference in the responses of professionals belonging to a Breast Unit. Conclusions: the level of knowledge is similar to that of other surverys. Working within a Breast Unit was associated with a better level of knowledge. Further work is needed in the training of professionals.

Understanding the Multilevel Disability Self-Management Strategies of Puerto Rican Older Men.

Aims: To explore the person, environment, and occupation-related self-management strategies used by older Hispanic men to cope with disabilities in different types of daily activities. Methods: A concurrent transformative mixed method design (with priority given to the qualitative phase) guided by the Environment and Occupational Performance Model was used to collect and analyze data of 12 participants with functional disabilities. Quantitative data was gathered using the PROMIS Physical Function Short Form-20. Qualitative data was obtained from in-depth semi-structured interviews on participants' self-management strategies. Results: The average T-score (35.96) was below the national average. Participants reported higher levels of functional disabilities in instrumental activities of daily living (IADL), and predominantly used practical social support and change in method of performance to manage their difficulties in self-care, IADL, and functional mobility activities. Conclusions: These strategies may be used with similar populations to design interventions aimed at increasing older Puerto Rican's function.

Norepinephrine-Induced DNA Damage in Ovarian Cancer Cells.

Multiple studies have shown that psychological distress in epithelial ovarian cancer (EOC) patients is associated with worse quality of life and poor treatment adherence. This may influence chemotherapy response and prognosis. Moreover, although stress hormones can reduce cisplatin efficacy in EOC treatment, their effect on the integrity of DNA remains poorly understood. In this study, we investigated whether norepinephrine and epinephrine can induce DNA damage and modulate cisplatin-induced DNA damage in three EOC cell lines. Our data show that norepinephrine and epinephrine exposure led to increased nuclear γ-H2AX foci formation in EOC cells, a marker of double-strand DNA breaks. We further characterized norepinephrine-induced DNA damage by subjecting EOC cells to alkaline and neutral comet assays. Norepinephrine exposure caused DNA double-strand breaks, but not single-strand breaks. Interestingly, pre-treatment with propranolol abrogated norepinephrine-induced DNA damage indicating that its effects may be mediated by ß-adrenergic receptors. Lastly, we determined the effects of norepinephrine on cisplatin-induced DNA damage. Our data suggest that norepinephrine reduced cisplatin-induced DNA damage in EOC cells and that this effect may be mediated independently of ß-adrenergic receptors. Taken together, these results suggest that stress hormones can affect DNA integrity and modulate cisplatin resistance in EOC cells.

Mastectomía de Reducción de Riesgo Contralateral: impacto en la evolución de las pacientes. Experiencia del Hospital Británico de Buenos Aires / Contralateral prophylactic mastectomy: impact on the outcome of patients at the Buenos Aires British Hospital

Introducción La Mastectomía de Reducción de Riesgo Contralateral (mrrc) se ha incrementado considerablemente en los últimos años. Este aumento llama la atención debido a que la incidencia del carcinoma de mama contralateral ha disminuido gracias al diagnóstico temprano y a los avances en los tratamientos adyuvantes. No se ha podido demostrar un claro beneficio de la mrrc en la Supervivencia Global (sg), en especial en las pacientes de bajo riesgo. Objetivos Describir la evolución y las características de las pacientes con diagnóstico de cáncer de mama unilateral que optaron por realizar mrrc en el Servicio de Mastología del Hospital Británico de Buenos Aires, analizando la aparición de carcinoma contralateral, la Supervivencia Libre de Enfermedad (sle) y la Supervivencia Global (sg), y compararla con un grupo de pacientes a quienes se les realizó Mastectomía Terapéutica Unilateral (mtu). Material y método Se realizó un estudio retrospectivo de pacientes con diagnóstico de cáncer de mama unilateral tratadas con mastectomía y sometidas a mrrc entre octubre de 2005 y noviembre de 2014. Se incluyeron 46 pacientes que recibieron mrrc, y en el grupo control a 140 pacientes a las que se les realizó mtu en el mismo período de tiempo y rango etario. El seguimiento medio en el grupo de mrrc fue de 49,3 meses y en el grupo de mtu de 43,3 meses. Resultados La incidencia anual del carcinoma contralateral fue de 0,5% en nuestra casuística. Las curvas de Kaplan Meier para supervivencia libre de enfermedad y supervivencia global no muestran diferencias significativas entre ambos grupos. Tampoco se observan diferencias en los subgrupos analizados de mujeres menores de 50 años y receptores estrogénicos (re) negativos. Conclusiones No hubo beneficio en cuanto a sle y sg en las pacientes sometidas a mrrc comparadas con el grupo de mtu, aun en los subgrupos considerados de mayor riesgo como aquellas pacientes menores de 50 años y Receptores de Estrógenos (re) negativos. No hubo desarrollo de carcinomas contralaterales en el grupo de mrrc. Al ser un procedimiento solicitado por las pacientes, es importante que el cirujano cuente con la información adecuada para poder brindar la mejor recomendación para cada una de ellas

Introduction Contralateral Prophylactic Mastectomy (cpm) has considerably increased in recent years. Such increase calls our attention, since the incidence of contralateral breast carcinoma has decreased as a result of early diagnosis and of the progress made with adjuvant therapies. No clear benefit in Overall Survival (os) was proven, particularly in low risk patients. Objectives To describe the evolution and characteristics of patients with unilateral breast cancer who decided to undergo cpm at the Buenos Aires British Hospital Breast Services Unit, analyzing the appearance of contralateral carcinoma, Disease-Free Survival (dfs) and Overall Survival (os), compared to a group of patients who underwent unilateral mastectomy. Materials and method A retrospective trial was conducted on patients diagnosed with unilateral breast cancer who underwent mastectomy and cpm between October 2005 and November 2014. During the same time period and among the same age group, 46 patients received cpm and 140 patients, from the control group, underwent unilateral mastectomy. The mean follow-up period was of 49.3 months for the cpm group, and of 43.3 months for the unilateral mastectomy group. Results The annual incidence of contralateral carcinoma was 0.5% in our cases. Kaplan Meier curves for disease-free survival (dfs) and overall survival (os) show no significant differences between both groups. The same is true for subgroups of women under 50 years old with negative estrogen receptors. Conclusions There was no benefit in terms of dfs and os in patients who underwent cpm against the unilateral mastectomy group, even in subgroups considered of higher risk, such as patients under 50 and with negative er. There were no contralateral carcinomas in the cpm group. Since this procedure is requested by patients, it is important for the surgeon to have the correct information to be able to provide the best recommendation in each case

Linfoma anaplásico de células grandes (lacg) asociado a implante mamario. Reporte de un caso y revisión de la literatura / Breast implant-associated anaplastic large cell lymphoma (bia-alcl). Description of one case diagnosed at the Buenos Aires British Hospital and literature review

Introducción El linfoma anaplásico de células grandes (lacg) asociado a implante mamario es una rara entidad descripta por primera vez en 1977. Hasta la actualidad, la Food and Drug Administration (fda) ha recibido 359 reportes de casos. Se manifiesta habitualmente como un seroma peri-protésico tardío o, menos frecuentemente, como una masa peri-capsular. En la mayoría de los casos, se asocia con implantes texturizados. Es fundamental el estudio citológico del seroma y la realización de cd30 en casos de sospecha diagnóstica. El tiempo medio desde la colocación del implante al desarrollo de la enfermedad es de 7 años a 10 años. Más del 80% de las pacientes se presentan en estadios tempranos, pudiendo ser tratadas solo con cirugía y sin requerir tratamientos adyuvantes. Objetivo El objetivo del presente trabajo es realizar el reporte de un caso de lacg diagnosticado y tratado en el Hospital Británico de Buenos Aires y realizar una revisión de la literatura

Introduction Breast implant-associated anaplastic large cell lymphoma (bia-alcl) is a rare T-cell lymphoma first described in 1977. As of February 1, 2017, the fda has received a total of 359 medical device reports. It typically occurrs in a delayed fluid collection around a textured implant. Specimens should be sent for cytology; essential to the diagnosis of bia-alcl is immunohistochemistry for cd30 cell surface protein. The median time from implant placement to diagnosis of alcl was 7 to 10 years. Disease localized to the capsule may be treated with surgery alone. Objective In this report we describe our experience with one case of bia-alcl diagnosed at the Buenos Aires British Hospital and we perform a review of the literature.

Generalized spin-ratio scaled MP2 method for accurate prediction of intermolecular interactions for neutral and ionic species.

The accurate calculation of intermolecular interactions is important to our understanding of properties in large molecular systems. The high computational cost of the current "gold standard" method, coupled cluster with singles and doubles and perturbative triples (CCSD(T), limits its application to small- to medium-sized systems. Second-order Møller-Plesset perturbation (MP2) theory is a cheaper alternative for larger systems, although at the expense of its decreased accuracy, especially when treating van der Waals complexes. In this study, a new modification of the spin-component scaled MP2 method was proposed for a wide range of intermolecular complexes including two well-known datasets, S22 and S66, and a large dataset of ionic liquids consisting of 174 single ion pairs, IL174. It was found that the spin ratio, ϵΔs=EINTOSEINTSS, calculated as the ratio of the opposite-spin component to the same-spin component of the interaction correlation energy fell in the range of 0.1 and 1.6, in contrast to the range of 3-4 usually observed for the ratio of absolute correlation energy, ϵs=EOSESS, in individual molecules. Scaled coefficients were found to become negative when the spin ratio fell in close proximity to 1.0, and therefore, the studied intermolecular complexes were divided into two groups: (1) complexes with ϵΔs< 1 and (2) complexes with ϵΔs≥ 1. A separate set of coefficients was obtained for both groups. Exclusion of counterpoise correction during scaling was found to produce superior results due to decreased error. Among a series of Dunning's basis sets, cc-pVTZ and cc-pVQZ were found to be the best performing ones, with a mean absolute error of 1.4 kJ mol-1 and maximum errors below 6.2 kJ mol-1. The new modification, spin-ratio scaled second-order Møller-Plesset perturbation, treats both dispersion-driven and hydrogen-bonded complexes equally well, thus validating its robustness with respect to the interaction type ranging from ionic to neutral species at minimal computational cost.

Trends in Two- and Three-Body Effects in Multiscale Clusters of Ionic Liquids.

Applications of higher correlated levels of ab initio theory to condensed systems require a significant amount of computational resources. The recent development of the fragment molecular orbital (FMO) approach alleviates this issue by splitting the system into individual fragments and achieves the accuracy of the method by accounting for all possible two-body and three-body interactions. In this work a comprehensive application of the FMO approach in combination with a second order of Møller-Plesset perturbation theory method, MP2, is presented for multiscale clusters of ionic liquids such as [C1mim]X, [C1mpyr]X, [C2py]X, and [NMe4]X, where X = chloride and tetrafluoroborates, BF4-, with the clusters varying in size from 4, 8, 16, to 32 ion pairs. Reliable cutoff criteria for the inclusion of two-body and three-body interactions are identified for both HF energy and MP2 correlation energy to achieve the desired accuracy of 1 kJ mol-1. The importance of two-body and three-body interactions in ionic liquids is also discussed.

Cáncer de mama en mujeres menores de 35 años / Breast cancer in women under 35 years

Entre un 1 y un 5% de las pacientes diagnosticadas con cáncer de mama son menores de 35 años. El pronóstico adverso en la enfermedad identificada a edad temprana puede atribuirse a una combinación de factores, aunque la edad podría ser un factor pronóstico independiente. Objetivo: Describir la tendencia en la proporción de mujeres de 35 o menos años (< 35 años) entre las pacientes diagnosticadas con cáncer de mama en el período 1998-2013 y analizar su evolución comparada con la de las pacientes premenopáusicas de más de 35 años (>35 años). Material y Método: Entre enero de 1998 y febrero de 2014, fueron incluidas 115 pacientes de edad < 35 años y se tomó una muestra aleatoria de 339 pacientes premenopáusicas de edad >35 años. Resultados: De las 115 pacientes, 43,4% tenía antecedentes familiares (p 0,024). El nódulo palpable fue el motivo de consulta en 66,1% (p <0,0001). La mediana de tamaño tumoral fue de 2,2 cm (p 0,0001), y un 50% tuvo compromiso ganglionar axilar (p 0,0022). Más del 50% fue estadios II y III; el 75% presentó gh3 (p 0,002) y el 35,6% receptores estrogénicos negativos. Un 11,3% tuvo recidivas locales (p 0,02) y un 17,4% metástasis (p <0,0001). La supervivencia libre de enfermedad a 10 años fue del 48,4% versus el 79,5% en pacientes premenopáusicas de edad >35 años, con una hr de 3,2 (ic=1,9-5,5); y la supervivencia global a 10 años fue del 73% versus el 93%, con una hr de 4,7 (ic=1,9-11,3). Conclusiones:El cáncer de mama en mujeres jóvenes, aun cuando presenta una baja incidencia, muestra, en los últimos años, una tendencia al aumento, con características más agresivas y estadios más avanzados, presentando, por ello, un peor pronóstico...

Novel SCS-IL-MP2 and SOS-IL-MP2 Methods for Accurate Energetics of Large-Scale Ionic Liquid Clusters.

Accurate energetics of intermolecular interactions in condensed systems are challenging to predict using highly correlated quantum chemical methods due to their great computational expense. Semi-Coulomb systems such as ionic liquids, in which electrostatic, dispersion, and induction forces are equally important, represent a further challenge for wave function-based methods. Here, the application of our recently developed SCS-IL-MP2 and SOS-IL-MP2 methods is reported for ionic liquid clusters of two and four ion pairs. Correlation interaction energies were found to be within 1.5 kJ mol(-1), on average, per ion pair of the CCSD(T)/CBS benchmark, thus introducing a marked improvement by a factor of 4 to conventional MP2 within the complete basis set. The fragment molecular orbital (FMO) approach in combination with both SCS-IL-MP2 and SOS-IL-MP2 has been shown to provide a reliable and computationally inexpensive alternative to CCSD(T)/CBS for large-scale calculations of ionic liquids, thus paving the way toward feasible ab initio molecular dynamics and development of reliable force fields for these condensed systems.

Presencia de lectinas, taninos e inhibidores de proteasas en algas marinas de las costas Venezolanas / Presence of lectins, tannins and protease inhibitors in Venezuelan marine algae

Se estudió la presencia de lectinas, taninos e inhibidores de proteases, en 27 especies de algas colectadas en barreras coralinas de cuatro regiones de Venezuela. Sólo seis de las especies estudiadas, presentaron actividad hemaglutinante atribuible a lectinas, obteniéndose los mayores títulos de hemaglutinación com eritrocitos tratados con pronasa. En cuatro de las especies, las lectinas fueron inhibidas por más de un azúcar sencillo y por la mucina de glándula submaxilar de bovino: Caulerpa sertularioides, Enteromorpha intestinalis, Codium repens y Codium isthmocladum (Chlorophyta). La lectina de Grateloupia filicina fue inhibida solamente por NAcGal. Ninguno de los compuestos probados inhibió la hemaglutinación causada por Halimeda opuntia. El tratamiento de los extractos con polivinilpolipirrolidona eliminó la actividad hemaglutinante de las algas pardas y rojas, menos en dos especies de rodofitas: Grateloupia filicina e Hypnea cervicornis, lo que hace presumir la presencia de lectinas en ambas. Los taninos presentes en las Phaeophyta y Rhodophyta estudiadas son aparentemente del tipo florotaninos con un mayor contenido en las primeras. Sólo se encontró actividad inhibidora de tripsina en: Padina gymnospora (Phaeophyta) y Acantophora spicifera (Rhodophyta). En ningún caso se encontró actividad inhibidora contra subtilisina.